0 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 C[C@@H](NC1=NC=CC=C1)C(=O)O 5694 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.43 NC(CC1=CC=CC=C1)B(O)O 33620 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33651 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33652 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,0,0,0,0,0|1,0,1]=2 18 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,0,0,0,0,0|1,0,1]=2 21 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,0,0,0,0,0|0,0,2]=2 22 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,0,0,0,0,0|0,0,2]=2 23 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,0,0,0,0,0|0,0,2]=3 46 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,0,0,0,0|0,0,1]=2 47 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [1,0,0,0,0,0|1,0,1]=3 48 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,0,0,0,0,0|0,0,1]=2 51 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [1,0,0,0,0,0|1,0,1]=3 52 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,0,0,0,0,0|0,0,2]=3 55 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [1,0,0,0,0,0|1,0,2]=4 56 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [1,0,0,0,0,0|1,0,2]=4 57 B11R1.91 OB(O)CCc1ccccc1 14049 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,0,0,0,0,0|1,0,2]=4 59 B13R1.133 CC(NC1=CC=C(Br)C=C1)C(=O)O 35889 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [0,1,0,0,0,0|1,0,2]=4 77 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,1,0,0,0,0|1,0,1]=3 80 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [0,1,0,0,0,0|0,0,2]=3 85 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,1,0,0,0,0|0,0,2]=3 86 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,1,0,0,0,0|0,0,2]=3 88 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,1,0,0,0,0|0,0,2]=3 90 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.148 CC(OC1=CC(Cl)=CC=C1)C(=O)O 27495 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 18697 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 18698 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O 19382 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.148 NC1=CC=CC(C[C@@H](N)C(=O)O)=C1 30184 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 30186 [0,1,0,0,0,0|1,0,1]=3 97 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18010 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18643 [0,1,0,0,0,0|1,0,1]=3 99 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 11978 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 17992 [0,1,0,0,0,0|1,0,1]=3 101 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 17964 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 18009 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 24700 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O 11977 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O 17963 [0,1,0,0,0,0|1,0,1]=3 106 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O 24507 [0,1,0,0,0,0|0,0,2]=3 107 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 9698 [0,1,0,0,0,0|0,0,2]=3 108 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24501 [0,1,0,0,0,0|0,0,2]=3 109 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 24505 [0,1,0,0,0,0|0,0,2]=3 110 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24504 [0,1,0,0,0,0|0,0,2]=3 111 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 29793 [0,1,0,0,0,0|1,0,1]=3 112 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 29792 [0,1,0,0,0,0|1,0,1]=3 113 B13R1.202 NC1=C(C[C@@H](N)C(=O)O)C=CC=C1 30192 [0,1,0,0,0,0|1,0,1]=3 114 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 18007 [0,1,0,0,0,0|1,0,1]=3 115 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 11960 [0,1,0,0,0,0|1,0,1]=3 116 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 29772 [0,1,0,0,0,0|1,0,1]=3 117 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O 17997 [0,1,0,0,0,0|1,0,1]=3 118 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 11958 [0,1,0,0,0,0|1,0,1]=3 119 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 17991 [0,1,0,0,0,0|1,0,1]=3 120 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 23304 [0,1,0,0,0,0|1,0,1]=3 121 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 29773 [0,1,0,0,0,0|1,0,1]=3 122 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,1,0,0,0,0|1,0,1]=3 123 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 35209 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,1,0,0,0,0|1,0,1]=3 126 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,0,0,1,0,0|2,0,1]=4 128 B13R2.369 OC1=NC2=CC=CC=C2N=C1O 25656 [0,0,0,1,0,0|2,0,1]=4 129 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [0,0,0,1,0,0|1,0,2]=4 130 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [0,0,0,1,0,0|1,0,2]=4 131 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [0,0,0,1,0,0|1,0,2]=4 132 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [0,0,0,1,0,0|1,0,2]=4 133 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [0,0,0,1,0,0|1,0,2]=4 134 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 16222 [0,0,0,1,0,0|2,0,1]=4 135 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 22341 [0,0,0,1,0,0|1,0,1]=3 136 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,0,0,1,0,0|1,0,2]=4 137 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 9425 [0,0,0,1,0,0|1,1,1]=4 138 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 7586 [0,0,0,1,0,0|3,0,0]=4 139 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 9409 [0,0,0,1,0,0|3,0,0]=4 140 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 20200 [0,0,0,1,0,0|2,0,1]=4 141 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 7016 [0,0,0,1,0,0|1,0,2]=4 142 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,0,0,1,0,0|0,0,2]=3 143 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 28045 [0,0,0,1,0,0|1,1,1]=4 144 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,0,0,1,0,0|1,0,1]=3 145 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 20647 [0,0,0,1,0,0|2,0,1]=4 146 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,0,0,1,0,0|1,0,2]=4 147 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 28037 [0,0,0,1,0,0|1,1,1]=4 148 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 32509 [0,0,0,1,0,0|1,1,1]=4 149 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 20924 [0,0,0,1,0,0|2,0,1]=4 150 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 33061 [0,0,0,1,0,0|1,1,1]=4 151 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,0,0,1,0,0|2,0,0]=3 152 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 15844 [0,0,0,1,0,0|1,0,1]=3 153 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 15887 [0,0,0,1,0,0|2,0,1]=4 154 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,0,0,1,0,0|1,0,1]=3 155 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,0,0,1,0,0|1,0,1]=3 156 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,0,0,1,0,0|1,0,1]=3 157 B11R1.35 NC(CC1=CC=CS1)C(=O)O 34969 [0,0,0,0,1,0|2,0,1]=4 158 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 18715 [0,0,0,0,1,0|2,0,1]=4 159 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O 29873 [0,0,0,0,1,0|2,0,1]=4 160 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 18712 [0,0,0,0,1,0|2,0,1]=4 161 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 29874 [0,0,0,0,1,0|2,0,1]=4 162 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,0,0,0,1,0|1,0,0]=2 163 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,0,0,0,1,0|2,0,1]=4 164 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,0,0,0,1,0|1,0,1]=3 165 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,0,0,0,1,0|3,0,0]=4 166 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,0,0,0,1,0|1,0,1]=3 167 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,0,0,0,1,0|1,0,1]=3 168 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,0,0,0,1,0|2,0,1]=4 169 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,0,0,0,1,0|2,0,1]=4 170 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,0,0,0,1,0|1,0,1]=3 171 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,0,0,0,1,0|1,0,1]=3 172 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,0,0,0,1,0|1,0,1]=3 173 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,0,0,0,1,0|2,0,1]=4 174 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,0,0,0,1,0|0,0,2]=3 175 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,0,0,0,1,0|0,0,2]=3 176 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,0,0,0,1,0|0,0,2]=3 177 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,0,0,0,0,1|1,0,0]=2 178 B13R1.348 CC(=O)\C=C(/C)NC1=CC=CC=C1 12811 [0,0,0,0,0,1|3,0,0]=4 179 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24324 [0,0,0,0,0,1|1,0,1]=3 180 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 13855 [0,0,0,0,0,1|1,0,1]=3 181 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 25817 [0,0,0,0,0,1|1,0,0]=2 182 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,0,0,0,0,1|2,0,1]=4 183 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O 36485 [0,0,0,0,0,1|1,0,1]=3 184 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,0,0,0,0,1|2,0,1]=4 185 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,0,0,0,0,1|2,0,1]=4 186 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,0,0,0,0,1|1,0,1]=3 187 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 11932 [0,0,0,0,0,1|1,0,1]=3 188 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 19031 [0,0,0,0,0,1|1,0,1]=3 189 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 11884 [0,0,0,0,0,1|1,0,1]=3 190 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O 30241 [0,0,0,0,0,1|1,0,1]=3 191 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,0,0,0,0,1|0,0,0]=1 192 B13R1.351 O=C(O)[C@H](O)CCc1ccccc1 5687 [0,0,0,0,0,1|0,0,2]=3 193 B10R1.17 C=COCC1=CC=CC=C1 36172 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [2,0,0,0,0,0|0,0,1]=3 195 B10R1.17 OCCCC1=CC=CC=C1 15023 [2,0,0,0,0,0|0,0,2]=4 196 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [2,0,0,0,0,0|1,0,0]=3 201 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [2,0,0,0,0,0|0,0,1]=3 206 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [2,0,0,0,0,0|0,1,0]=3 209 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [1,1,0,0,0,0|0,0,1]=3 227 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [1,1,0,0,0,0|0,0,1]=3 228 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [1,1,0,0,0,0|1,0,1]=4 229 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 28158 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [1,1,0,0,0,0|0,0,1]=3 231 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [1,1,0,0,0,0|0,0,1]=3 232 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [1,1,0,0,0,0|0,0,1]=3 234 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [1,1,0,0,0,0|0,0,1]=3 235 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [1,1,0,0,0,0|0,0,1]=3 236 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [1,1,0,0,0,0|0,0,1]=3 237 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [1,1,0,0,0,0|0,0,1]=3 238 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [1,1,0,0,0,0|0,0,1]=3 240 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [1,1,0,0,0,0|0,0,1]=3 243 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [1,1,0,0,0,0|0,0,1]=3 252 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 13900 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [1,1,0,0,0,0|0,0,1]=3 254 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 15111 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 15101 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 15116 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [1,1,0,0,0,0|0,0,1]=3 258 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [1,1,0,0,0,0|0,0,1]=3 259 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [1,1,0,0,0,0|0,0,1]=3 260 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 15114 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 15103 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 15113 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [1,1,0,0,0,0|0,0,1]=3 264 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [1,1,0,0,0,0|0,0,1]=3 265 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [1,1,0,0,0,0|0,0,1]=3 266 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [1,1,0,0,0,0|0,0,1]=3 268 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [1,1,0,0,0,0|0,0,1]=3 272 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [1,1,0,0,0,0|0,0,1]=3 273 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [1,1,0,0,0,0|0,0,1]=3 274 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [1,1,0,0,0,0|0,0,1]=3 275 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [1,1,0,0,0,0|0,0,1]=3 276 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [1,1,0,0,0,0|0,0,1]=3 277 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [1,1,0,0,0,0|0,0,1]=3 278 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [1,1,0,0,0,0|0,0,1]=3 279 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [1,1,0,0,0,0|1,0,1]=4 280 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [1,1,0,0,0,0|0,0,1]=3 281 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [1,1,0,0,0,0|0,0,1]=3 282 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [1,1,0,0,0,0|0,0,1]=3 283 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [1,1,0,0,0,0|0,0,1]=3 284 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [1,1,0,0,0,0|0,0,1]=3 285 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,1,0,0,1,0|1,0,0]=3 286 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,1,0,0,1,0|1,0,1]=4 288 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,1,0,0,1,0|1,0,1]=4 289 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,1,0,0,1,0|1,0,1]=4 290 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,1,0,0,1,0|1,0,1]=4 291 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,1,0,0,1,0|1,0,1]=4 292 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,1,0,0,1,0|1,0,1]=4 293 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,1,0,0,1,0|1,0,1]=4 294 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,1,0,0,1,0|1,0,1]=4 295 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,1,0,0,1,0|1,0,1]=4 296 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,1,0,0,1,0|0,0,0]=2 297 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,1,0,0,1,0|0,0,2]=4 298 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 23462 [0,1,0,0,1,0|1,0,1]=4 299 B12R1.124 NC(C(=O)O)C1=C(Br)C=CC=C1 31443 [0,1,0,0,1,0|1,0,1]=4 300 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 12338 [0,1,0,0,1,0|1,0,1]=4 301 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 19644 [0,1,0,0,1,0|1,0,1]=4 302 B12R1.124 N[C@@H](C(=O)O)c1ccccc1Cl 12292 [0,1,0,0,1,0|1,0,1]=4 303 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 5744 [0,1,0,0,1,0|1,0,1]=4 304 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 22144 [0,1,0,0,1,0|1,0,1]=4 305 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 23671 [0,1,0,0,1,0|1,0,1]=4 306 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 15895 [0,1,0,0,1,0|0,0,2]=4 307 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 5743 [0,1,0,0,1,0|0,0,2]=4 308 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 5742 [0,1,0,0,1,0|0,0,2]=4 309 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 23445 [0,1,0,0,1,0|1,0,1]=4 310 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 33782 [0,1,0,0,1,0|1,0,1]=4 311 B12R1.225 NC(C(=O)O)C1=CC(Br)=CC=C1 25471 [0,1,0,0,1,0|1,0,1]=4 312 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 20741 [0,1,0,0,1,0|1,0,1]=4 313 B12R1.225 N[C@H](C(=O)O)C1=CC(Br)=CC=C1 30161 [0,1,0,0,1,0|1,0,1]=4 314 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 44765 [0,1,0,0,1,0|0,0,2]=4 315 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 25302 [0,1,0,0,1,0|0,0,2]=4 316 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 25304 [0,1,0,0,1,0|0,0,2]=4 317 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 19618 [0,1,0,0,1,0|1,0,1]=4 318 B12R1.478 CC[C@H](C(=O)O)c1ccccc1 9874 [0,1,0,0,1,0|1,0,1]=4 319 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 16164 [0,1,0,0,1,0|1,0,1]=4 320 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 20905 [0,1,0,0,1,0|1,0,1]=4 321 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 30060 [0,1,0,0,0,1|1,0,1]=4 322 B14R1.337 Cc1ccccc1C[C@H](N)CC(=O)O 30163 [0,1,0,0,0,1|1,0,1]=4 323 B14R1.337 N[C@@H](CC(=O)O)Cc1ccccc1Cl 30110 [0,1,0,0,0,1|1,0,1]=4 324 B14R1.337 N[C@H](CC(=O)O)Cc1ccccc1Cl 30082 [0,1,0,0,0,1|1,0,1]=4 325 B14R1.337 N[C@H](CC(=O)O)Cc1ccccc1F 30170 [0,1,0,0,0,1|1,0,1]=4 326 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O 45003 [0,1,0,0,0,1|1,0,1]=4 327 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 36168 [0,1,0,0,0,1|1,0,1]=4 328 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 30152 [0,1,0,0,0,1|1,0,1]=4 329 B14R1.698 Cc1ccc(C[C@@H](N)CC(=O)O)cc1 30064 [0,1,0,0,0,1|1,0,1]=4 330 B14R1.698 N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1 30106 [0,1,0,0,0,1|1,0,1]=4 331 B14R1.698 N[C@@H](CC(=O)O)Cc1ccc(I)cc1 30077 [0,1,0,0,0,1|1,0,1]=4 332 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 30153 [0,1,0,0,0,1|1,0,1]=4 333 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(Br)cc1 30165 [0,1,0,0,0,1|1,0,1]=4 334 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(F)cc1 30147 [0,1,0,0,0,1|1,0,1]=4 335 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(I)cc1 30128 [0,1,0,0,0,1|1,0,1]=4 336 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(O)cc1 30126 [0,1,0,0,0,1|1,0,1]=4 337 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 25420 [0,1,0,0,0,1|1,0,1]=4 338 B14R1.5978 Cc1cccc(C[C@@H](N)CC(=O)O)c1 30095 [0,1,0,0,0,1|1,0,1]=4 339 B14R1.5978 Cc1cccc(C[C@H](N)CC(=O)O)c1 30139 [0,1,0,0,0,1|1,0,1]=4 340 B14R1.5978 N[C@@H](CC(=O)O)Cc1cccc(Cl)c1 30088 [0,1,0,0,0,1|1,0,1]=4 341 B14R1.5978 N[C@@H](CC(=O)O)Cc1cccc(F)c1 30052 [0,1,0,0,0,1|1,0,1]=4 342 B14R1.5978 N[C@H](CC(=O)O)Cc1cccc(Cl)c1 30169 [0,1,0,0,0,1|1,0,1]=4 343 B14R1.5978 N[C@H](CC(=O)O)Cc1cccc(F)c1 30155 [0,1,0,0,0,1|1,0,1]=4 344 B14R1.161 N[C@@H](CCC1=C(O)C=CC=C1)C(=O)O 34592 [0,1,0,0,0,1|1,0,1]=4 345 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 19043 [0,1,0,0,0,1|1,0,1]=4 346 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 34994 [0,1,0,0,0,1|1,0,1]=4 347 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 17346 [0,2,0,0,0,0|1,0,1]=4 348 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 18019 [0,2,0,0,0,0|1,0,1]=4 349 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 23307 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 13163 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 13160 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 18610 [0,2,0,0,0,0|1,0,1]=4 353 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10889 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10902 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 10891 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 19257 [0,2,0,0,0,0|0,0,2]=4 357 B14R1.686 CC1=C(C)C=C(CC(N)C(=O)O)C=C1 14840 [0,2,0,0,0,0|1,0,1]=4 358 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O 8478 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O 11970 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O 18710 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 11980 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 17977 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 13968 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.686 N[C@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O 18703 [0,2,0,0,0,0|1,0,1]=4 365 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O 17976 [0,2,0,0,0,0|1,0,1]=4 366 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O 29784 [0,2,0,0,0,0|1,0,1]=4 367 B14R1.686 N[C@H](CC1=CC(O)=C(O)C=C1)C(=O)O 35743 [0,2,0,0,0,0|1,0,1]=4 368 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 8475 [0,2,0,0,0,0|1,0,1]=4 369 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 17969 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O 29758 [0,2,0,0,0,0|1,0,1]=4 371 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O 17968 [0,2,0,0,0,0|1,0,1]=4 372 B14R1.7626 C[C@](N)(Cc1ccc(F)cc1)C(=O)O 30175 [0,2,0,0,0,0|1,0,1]=4 373 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [0,2,0,0,0,0|1,0,1]=4 374 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 18016 [0,2,0,0,0,0|1,0,1]=4 375 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 18018 [0,2,0,0,0,0|1,0,1]=4 376 B14R1.75 N#CC1=CC=CC(C[C@@H](N)C(=O)O)=C1 29817 [0,2,0,0,0,0|1,0,1]=4 377 B14R1.75 N#CC1=CC=CC(C[C@H](N)C(=O)O)=C1 15793 [0,2,0,0,0,0|1,0,1]=4 378 B14R1.153 NC(CC1=C(F)C(F)=CC=C1)C(=O)O 8474 [0,2,0,0,0,0|1,0,1]=4 379 B14R1.153 N[C@@H](CC1=C(F)C(F)=CC=C1)C(=O)O 17967 [0,2,0,0,0,0|1,0,1]=4 380 B14R1.153 N[C@H](CC1=C(F)C(F)=CC=C1)C(=O)O 17966 [0,2,0,0,0,0|1,0,1]=4 381 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O 8479 [0,2,0,0,0,0|1,0,1]=4 382 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(=O)O 4079 [0,2,0,0,0,0|1,0,1]=4 383 B14R1.4257 N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O 4078 [0,2,0,0,0,0|1,0,1]=4 384 B14R1.4257 N[C@H](CC1=CC(F)=CC(F)=C1)C(=O)O 17979 [0,2,0,0,0,0|1,0,1]=4 385 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O 8476 [0,2,0,0,0,0|1,0,1]=4 386 B14R1.4474 N[C@@H](CC1=C(F)C=CC(F)=C1)C(=O)O 17975 [0,2,0,0,0,0|1,0,1]=4 387 B14R1.4474 N[C@H](CC1=C(F)C=CC(F)=C1)C(=O)O 17973 [0,2,0,0,0,0|1,0,1]=4 388 B14R1.3135 COC1=C(C[C@@H](N)C(=O)O)C=CC=C1 18013 [0,2,0,0,0,0|1,0,1]=4 389 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 18015 [0,2,0,0,0,0|1,0,1]=4 390 B14R1.3135 N#CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 29814 [0,2,0,0,0,0|1,0,1]=4 391 B14R1.3135 N#CC1=C(C[C@H](N)C(=O)O)C=CC=C1 29813 [0,2,0,0,0,0|1,0,1]=4 392 B14R1.5971 NC(CC1=C(F)C=CC=C1F)C(=O)O 8477 [0,2,0,0,0,0|1,0,1]=4 393 B14R1.4513 CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O 35563 [0,2,0,0,0,0|1,0,1]=4 394 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [1,0,0,1,0,0|1,0,1]=4 395 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [1,0,0,1,0,0|1,0,1]=4 396 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [1,0,0,1,0,0|1,0,0]=3 397 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [1,0,0,1,0,0|2,0,0]=4 398 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [1,0,0,1,0,0|2,0,0]=4 399 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [1,0,0,1,0,0|2,0,0]=4 400 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [1,0,0,1,0,0|1,0,1]=4 401 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [1,0,0,1,0,0|1,0,1]=4 402 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [1,0,0,1,0,0|0,0,1]=3 403 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [1,0,0,1,0,0|0,0,2]=4 404 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [1,0,0,1,0,0|1,0,1]=4 405 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [1,0,0,1,0,0|2,0,0]=4 406 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 14482 [1,0,0,1,0,0|1,1,0]=4 407 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 6915 [0,0,0,1,0,1|1,0,1]=4 408 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 6916 [0,0,0,1,0,1|1,0,1]=4 409 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 35959 [0,0,0,1,0,1|1,0,1]=4 410 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 6871 [0,0,0,1,0,1|1,0,1]=4 411 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 26369 [0,0,0,1,0,1|1,0,1]=4 412 B14R2.642 CC(=O)N1C(=O)OC2=C1C=CC=C2 8658 [0,0,0,1,0,1|2,0,0]=4 413 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 29049 [0,0,0,1,0,1|1,0,1]=4 414 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 36074 [0,0,0,1,0,1|2,0,0]=4 415 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 16311 [0,0,0,1,0,1|1,0,1]=4 416 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 9417 [0,0,0,1,0,1|1,0,1]=4 417 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 10167 [0,0,0,1,0,1|1,0,1]=4 418 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 16889 [0,0,0,1,0,1|1,0,1]=4 419 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 7517 [0,0,0,1,0,1|1,0,1]=4 420 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 7514 [0,0,0,1,0,1|1,0,1]=4 421 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 9776 [0,0,0,1,0,1|1,0,1]=4 422 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 6300 [0,0,0,1,0,1|1,0,1]=4 423 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 14568 [0,0,0,1,0,1|0,0,2]=4 424 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 5793 [0,0,0,1,0,1|1,0,1]=4 425 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 11672 [0,0,0,1,0,1|0,0,2]=4 426 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 6296 [0,0,0,1,0,1|1,0,1]=4 427 B14R2.781 O=C(O)[C@H]1COC2=C(C=CC=C2)O1 11674 [0,0,0,1,0,1|0,0,2]=4 428 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 32494 [0,1,0,1,0,0|0,0,2]=4 429 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 28967 [0,1,0,1,0,0|0,1,1]=4 430 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 32492 [0,1,0,1,0,0|0,0,2]=4 431 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 28835 [0,1,0,1,0,0|1,0,1]=4 432 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 20509 [0,1,0,1,0,0|0,0,2]=4 433 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 28020 [0,1,0,1,0,0|0,0,2]=4 434 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 27851 [0,1,0,1,0,0|0,1,1]=4 435 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 32493 [0,1,0,1,0,0|0,0,2]=4 436 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 34487 [0,1,0,1,0,0|0,1,1]=4 437 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 32495 [0,1,0,1,0,0|0,0,2]=4 438 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 35763 [0,1,0,1,0,0|0,0,2]=4 439 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 28019 [0,1,0,1,0,0|0,0,2]=4 440 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 27990 [0,1,0,1,0,0|0,1,1]=4 441 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 28034 [0,1,0,1,0,0|0,0,2]=4 442 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 27991 [0,1,0,1,0,0|0,1,1]=4 443 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 28035 [0,1,0,1,0,0|0,0,2]=4 444 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 27992 [0,1,0,1,0,0|0,1,1]=4 445 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 1663 [0,1,0,1,0,0|1,0,1]=4 446 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 1670 [0,1,0,1,0,0|1,0,1]=4 447 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 1683 [0,1,0,1,0,0|1,0,1]=4 448 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 1716 [0,1,0,1,0,0|1,0,1]=4 449 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 1664 [0,1,0,1,0,0|1,0,1]=4 450 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 1671 [0,1,0,1,0,0|1,0,1]=4 451 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 1684 [0,1,0,1,0,0|1,0,1]=4 452 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 13369 [0,1,0,1,0,0|1,0,1]=4 453 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 7284 [0,1,0,1,0,0|1,0,1]=4 454 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 23451 [0,1,0,1,0,0|1,0,1]=4 455 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O 8675 [0,1,0,1,0,0|1,0,1]=4 456 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 1706 [0,1,0,1,0,0|1,0,1]=4 457 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 27878 [0,1,0,1,0,0|0,1,1]=4 458 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 32491 [0,1,0,1,0,0|0,0,2]=4 459 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 27993 [0,1,0,1,0,0|0,1,1]=4 460 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 9494 [0,1,0,1,0,0|1,0,1]=4 461 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 32497 [0,1,0,1,0,0|0,0,2]=4 462 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 27995 [0,1,0,1,0,0|0,1,1]=4 463 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 32496 [0,1,0,1,0,0|0,0,2]=4 464 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 32441 [0,1,0,1,0,0|0,1,1]=4 465 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 32498 [0,1,0,1,0,0|0,0,2]=4 466 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 27997 [0,1,0,1,0,0|0,1,1]=4 467 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 2531 [0,1,0,1,0,0|1,0,1]=4 468 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 30412 [0,1,0,1,0,0|1,0,1]=4 469 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 32476 [0,1,0,1,0,0|0,0,2]=4 470 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 32474 [0,1,0,1,0,0|0,0,2]=4 471 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 27994 [0,1,0,1,0,0|0,1,1]=4 472 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 34191 [0,1,0,1,0,0|0,1,1]=4 473 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 27996 [0,1,0,1,0,0|0,1,1]=4 474 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 28833 [0,1,0,1,0,0|1,0,1]=4 475 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 23489 [0,1,0,1,0,0|1,0,1]=4 476 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 16293 [0,1,0,1,0,0|1,1,0]=4 477 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 20609 [0,1,0,1,0,0|1,0,1]=4 478 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 18541 [0,1,0,1,0,0|0,1,1]=4 479 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [1,0,0,0,1,0|1,0,0]=3 480 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [1,0,0,0,1,0|2,0,0]=4 481 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,0,0,0,1,0|2,0,0]=4 482 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,0,0,0,1,0|1,0,1]=4 483 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,0,0,0,1,0|1,0,1]=4 484 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,0,0,0,1,0|1,0,1]=4 485 B10R1.15 NNC(=O)c1ccccc1 21535 [1,0,0,0,1,0|2,0,0]=4 486 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [1,0,0,0,1,0|2,0,0]=4 487 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,0,0,0,1,0|1,0,1]=4 488 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,0,0,0,1,0|1,0,1]=4 489 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,0,0,0,1,0|1,0,1]=4 490 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,0,0,0,1,0|0,0,1]=3 491 B10R1.66 O=C(O)CCc1cccs1 23928 [1,0,0,0,1,0|1,0,1]=4 492 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [1,0,0,0,1,0|1,0,1]=4 493 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [1,0,0,0,1,0|1,0,1]=4 494 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,0,0,0,2,0|1,0,0]=3 495 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [1,0,0,0,0,1|1,0,1]=4 496 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,0,0,0,0,1|1,0,1]=4 497 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [1,0,0,0,0,1|1,0,1]=4 498 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [1,0,0,0,0,1|2,0,0]=4 499 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [1,0,0,0,0,1|1,0,1]=4 500 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [1,0,0,0,0,1|0,0,1]=3 501 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [1,0,0,0,0,1|0,0,1]=3 502 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [1,0,0,0,0,1|0,0,1]=3 503 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [1,0,0,0,0,1|0,0,1]=3 504 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 25653 [0,0,0,0,0,2|1,0,0]=3 505 B14R1.818 CC(=O)\C=C(/C)NCC1=CC=CC=C1 12813 [0,0,0,0,0,2|2,0,0]=4 506 B14R1.818 N[C@H](CCc1ccccc1)CC(=O)O 30055 [0,0,0,0,0,2|1,0,1]=4 507 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O 15792 [0,0,0,0,0,2|1,0,1]=4 508 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O 18695 [0,0,0,0,0,2|1,0,1]=4 509 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O 19030 [0,0,0,0,0,2|1,0,1]=4 510 B14R1.6449 N[C@@H](C\C=C\c1ccccc1)C(=O)O 29879 [0,0,0,0,0,2|1,0,1]=4 511 B14R1.6449 N[C@H](CCCc1ccccc1)C(=O)O 29921 [0,0,0,0,0,2|1,0,1]=4 512 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O 26291 [0,0,0,0,0,2|1,0,1]=4 513 B14R1.6449 N[C@H](C\C=C\c1ccccc1)C(=O)O 29880 [0,0,0,0,0,2|1,0,1]=4